%chk=000172980.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172980

0 1
 I  -0.2389000       2.452300     -0.4183000    
 I   -2.501900      -3.225100     -0.4384000    
 I    3.309400      -2.433000      0.5989000    
 O    4.157200       1.867300     -0.8033000    
 O   -5.349000       1.231800       1.350900    
 O   -5.034700       1.040100     -0.8904000    
 N    2.387900      0.6746000      0.2031000    
 C   -1.075100     -0.4978000     -0.3651000    
 C    1.282000     -0.1742000      5.5199999E-02
 C   -2.436000      5.8400001E-02 -0.6607000    
 C   2.0400001E-02  0.3534000     -0.2202000    
 C    2.643600       1.272300       1.546800    
 C  -0.9090000      -1.876800     -0.2351000    
 C   -3.247100      0.3828000      0.5954000    
 C    1.448000      -1.553100      0.1854000    
 C   0.3526000      -2.404600      3.9900001E-02
 C    3.226400       1.062800     -0.8938000    
 C    3.609200      0.4469000       2.333700    
 C   -4.622600      0.9031000      0.2544000    
 C    2.977500      0.4189000      -2.238500    
 H   -2.384000      0.9359000      -1.313700    
 H   -3.007500     -0.6153000      -1.308300    
 H    3.054000       2.277600       1.399200    
 H    1.698500       1.378600       2.090800    
 H   -3.374100     -0.5102000       1.216500    
 H   -2.740700       1.143300       1.198800    
 H   0.4822000      -3.480100      0.1412000    
 H    3.139900     -0.4508000       2.741100    
 H    4.507400      0.1916000       1.764600    
 H    3.943600       1.020200       3.206800    
 H    1.936100      0.5427000      -2.543400    
 H    3.231700     -0.6420000      -2.205500    
 H    3.606700      0.8999000      -2.993900    
 H   -6.234700       1.579900       1.112700    


%chk=000172980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172980

0 1
I -0.152445 2.418894 -0.478987
I -2.591874 -3.339952 -0.534616
I 3.325212 -2.615983 0.414542
O 4.277110 1.770303 -0.589289
O -5.287754 1.273239 1.538685
O -5.154369 1.231601 -0.780785
N 2.428140 0.614227 0.200180
C -1.157784 -0.537473 -0.461341
C 1.308589 -0.254267 -0.012541
C -2.528693 0.054923 -0.732023
C 0.005677 0.269859 -0.288694
C 2.574257 1.298523 1.525060
C -0.955054 -1.942715 -0.346536
C -3.275379 0.369567 0.586412
C 1.430181 -1.670314 0.061940
C 0.311123 -2.510593 -0.102019
C 3.328833 0.966506 -0.825617
C 3.656295 0.688763 2.436543
C -4.637396 0.984779 0.330171
C 3.087429 0.357099 -2.200873
H -2.442304 0.980419 -1.325454
H -3.137872 -0.644219 -1.329654
H 2.826624 2.352703 1.312571
H 1.586987 1.272452 2.019798
H -3.419443 -0.545782 1.191267
H -2.695535 1.069417 1.217366
H 0.425694 -3.593580 -0.033956
H 3.411246 -0.343979 2.736982
H 4.633040 0.692224 1.925785
H 3.744547 1.303633 3.351955
H 2.054828 0.534507 -2.550578
H 3.261849 -0.733924 -2.190958
H 3.793781 0.821475 -2.904437
H -6.176536 1.679068 1.345901


